KEGG   COMPOUND: C14728
Entry
C14728                      Compound                               
Name
2,2',3,3',4',5-Hexachloro-4-biphenylol
Formula
C12H4Cl6O
Exact mass
373.8393
Mol weight
376.8776
Structure
Other DBs
CAS: 158076-62-1
PubChem: 17395727
ChEBI: 34195
NIKKAJI: J1.807.343I
LinkDB
KCF data

ATOM        19
            1   C8x C    17.7800  -19.6700
            2   C8y C    17.7800  -21.0700
            3   C8y C    18.9924  -21.7700
            4   C8y C    20.2049  -21.0700
            5   C8y C    20.2049  -19.6700
            6   C8x C    18.9924  -18.9700
            7   C8y C    21.4360  -18.9590
            8   C8x C    22.6412  -19.6547
            9   C8y C    23.8535  -18.9546
            10  C8y C    23.8535  -17.5546
            11  C8y C    22.6483  -16.8589
            12  C8y C    21.4359  -17.5590
            13  O1a O    25.0714  -16.8512
            14  X   Cl   20.2164  -16.8549
            15  X   Cl   22.6485  -15.4704
            16  X   Cl   25.0851  -19.6654
            17  X   Cl   21.4360  -21.7810
            18  X   Cl   18.9924  -23.1698
            19  X   Cl   16.5676  -21.7700
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   12  14 1
            16   11  15 1
            17    9  16 1
            18    4  17 1
            19    3  18 1
            20    2  19 1

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